2-[[3-(1,3-benzothiazol-2-yl)phenyl]iminomethyl]-6-ethoxy-4-nitro-phenolate

Systemtic Name: 2-[[3-(1,3-benzothiazol-2-yl)phenyl]iminomethyl]-6-ethoxy-4-nitro-phenolate Openeye Name: 2-[[3-(1,3-benzothiazol-2-yl)phenyl]iminomethyl]-6-ethoxy-4-nitro-phenolate CAS Name: 2-[[3-(1,3-benzothiazol-2-yl)phenyl]iminomethyl]-6-ethoxy-4-nitrophenolate IUPAC Name: 2-[[3-(1,3-benzothiazol-2-yl)phenyl]iminomethyl]-6-ethoxy-4-nitrophenolate Traditional Name: 2-[[3-(1,3-benzothiazol-2-yl)phenyl]iminomethyl]-6-ethoxy-4-nitro-phenolate Formula: C22H16N3O4S- MolecularWeight: 418.44514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3)[O-]

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3)[O-]

InChI

InChI=1S/C22H17N3O4S/c1-2-29-19-12-17(25(27)28)11-15(21(19)26)13-23-16-7-5-6-14(10-16)22-24-18-8-3-4-9-20(18)30-22/h3-13,26H,2H2,1H3/p-1